14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole

C114H93N3S3 — CID 163424763

About 14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole

14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole (PubChem CID 163424763) has the molecular formula C114H93N3S3 and a molecular weight of 1601.22 g/mol. Its IUPAC name is 14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole.

Molecular Properties

• Compound Name: 14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole
• PubChem CID: 163424763
• Molecular Formula: C114H93N3S3
• Molecular Weight: 1601.22 g/mol
• Exact Mass: 1599.65
• IUPAC Name: 14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole
• SMILES: CC1(C)c2ccccc2-c2c(ccc3sc4ccc(-n5c6ccccc6c6ccccc65)cc4c23)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3sc4ccc(N(c5ccccc5)c5ccccc5)cc4c23)C1(C)C.CC1(C)c2ccccc2-c2ccc3c(sc4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc43)c2C1(C)C
• InChI: InChI=1S/C42H33NS.C36H29NS.C36H31NS/c1-41(2)35-14-8-5-11-29(35)32-22-23-33-34-25-27(19-24-38(34)44-40(33)39(32)42(41,3)4)26-17-20-28(21-18-26)43-36-15-9-6-12-30(36)31-13-7-10-16-37(31)43;1-35(2)27-14-8-5-13-25(27)33-28(36(35,3)4)18-20-32-34(33)26-21-22(17-19-31(26)38-32)37-29-15-9-6-11-23(29)24-12-7-10-16-30(24)37;1-35(2)29-18-12-11-17-27(29)33-30(36(35,3)4)20-22-32-34(33)28-23-26(19-21-31(28)38-32)37(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-25H,1-4H3;5-21H,1-4H3;5-23H,1-4H3
• InChIKey: ALNKLGMGCWUGKP-UHFFFAOYSA-N
• XLogP: 33.20
• TPSA: 13.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1601.22
LogP ≤ 5	33.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole?

The IUPAC name of 14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole (CID 163424763) is 14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole.

What is the SMILES notation for 14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole?

The canonical SMILES for 14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole is CC1(C)c2ccccc2-c2c(ccc3sc4ccc(-n5c6ccccc6c6ccccc65)cc4c23)C1(C)C.CC1(C)c2ccccc2-c2c(ccc3sc4ccc(N(c5ccccc5)c5ccccc5)cc4c23)C1(C)C.CC1(C)c2ccccc2-c2ccc3c(sc4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc43)c2C1(C)C.

What is the InChIKey of 14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole?

The InChIKey is ALNKLGMGCWUGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33NS.C36H29NS.C36H31NS/c1-41(2)35-14-8-5-11-29(35)32-22-23-33-34-25-27(19-24-38(34)44-40(33)39(32)42(41,3)4)26-17-20-28(21-18-26)43-36-15-9-6-12-30(36)31-13-7-10-16-37(31)43;1-35(2)27-14-8-5-13-25(27)33-28(36(35,3)4)18-20-32-34(33)26-21-22(17-19-31(26)38-32)37-29-15-9-6-11-23(29)24-12-7-10-16-30(24)37;1-35(2)29-18-12-11-17-27(29)33-30(36(35,3)4)20-22-32-34(33)28-23-26(19-21-31(28)38-32)37(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-25H,1-4H3;5-21H,1-4H3;5-23H,1-4H3.

What are the key properties of 14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole?

14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole has a molecular weight of 1601.22 g/mol, XLogP of 33.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14,15,15-tetramethyl-N,N-diphenyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-amine;9-[4-(12,12,13,13-tetramethylphenanthro[1,2-b][1]benzothiol-8-yl)phenyl]carbazole;9-(14,14,15,15-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,16,18,20-nonaen-5-yl)carbazole is sourced from PubChem (CID 163424763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).